4-(3,4-Dimethoxyphenethyl)-2,6-piperazinedione
Basic information
- CAS
22198-82-9- Standard SMILES
COc1ccc(CCN2CC(=O)NC(=O)C2)cc1OC- InChIKey
JECXVTBFHXMZLZ-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.12665706
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxyphenethyl)-2,6-piperazinedione
- IUPAC
- 4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,6-dione
Names & synonyms
S4KA2EVJ2M4-(3,4-Dimethoxyphenethyl)-2,6-piperazinedioneNSC-169446RefChem:106986422198-82-9MLS003106713UNII-S4KA2EVJ2MNSC1694462,6-Piperazinedione, 4-(3,4-dimethoxyphenethyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,6-dione4-(2-(3,4-Dimethoxyphenyl)ethyl)-2,6-piperazinedione4-(2-(3,4-Dimethoxyphenyl)ethyl)piperazine-2,6-dione
Show more names
2,6-Piperazinedione, 4-(2-(3,4-dimethoxyphenyl)ethyl)-4-(3,6-piperazinedioneCHEMBL2139740DTXSID103051542, 4-(3,4-dimethoxyphenethyl)-AKOS013100426SMR001821605
Database identifiers
- CAS
22198-82-9- PubChem CID
- 297935
- DTXSID
DTXSID10305154- ChEMBL
CHEMBL2139740- UNII
- S4KA2EVJ2M
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
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Related reactions
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Compound notes
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